2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol

C5H7BrN2OS — CID 84688089

IUPAC2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol
SMILESNCC(O)c1sncc1Br
InChIInChI=1S/C5H7BrN2OS/c6-3-2-8-10-5(3)4(9)1-7/h2,4,9H,1,7H2
InChIKeyFDKBESCMQUCYDN-UHFFFAOYSA-N
MW223.09 g/mol
LogP0.90
Rot. Bonds2

About 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol

2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol (PubChem CID 84688089) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol
PubChem CID84688089
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol
SMILESNCC(O)c1sncc1Br
InChIInChI=1S/C5H7BrN2OS/c6-3-2-8-10-5(3)4(9)1-7/h2,4,9H,1,7H2
InChIKeyFDKBESCMQUCYDN-UHFFFAOYSA-N
XLogP0.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Bromoisothiazol-5-yl)ethan-1-ol
CID 84675764
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)ethanol
CID 84656712
2-Amino-2-(4-bromo-1,2-thiazol-5-yl)ethanol
CID 84688090
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699871
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699872
1-(4-Bromo-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84699874
[1-(Aminomethyl)cyclopropyl](4-bromo-1,2-thiazol-5-yl)methanol
CID 165443274
2-(Aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol
CID 165446471
2-(4-Bromo-1,2-thiazol-5-yl)-2-ethoxyethan-1-amine
CID 165506117
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)-2,2-dimethylpropan-1-ol
CID 165779174
3-Amino-1-(4-bromo-1,2-thiazol-5-yl)-2-methylpropan-1-ol
CID 165788107
2-(4-Bromo-1,2-thiazol-5-yl)-2-methoxyethan-1-amine
CID 165960961

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol (CID 84688089) is 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol is NCC(O)c1sncc1Br.
What is the InChIKey of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol?
The InChIKey is FDKBESCMQUCYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c6-3-2-8-10-5(3)4(9)1-7/h2,4,9H,1,7H2.
What are the key properties of 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol?
2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol has a molecular weight of 223.09 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 84688089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).